CID 203111

1-(2-chloroethyl)-3-(2-fluoroethyl)-1-nitrosourea

Structural Information

Molecular Formula
C5H9ClFN3O2
SMILES
C(CF)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C5H9ClFN3O2/c6-1-4-10(9-12)5(11)8-3-2-7/h1-4H2,(H,8,11)
InChIKey
GXBOHUAFQNRVRA-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-fluoroethyl)-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

197.03673 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04401 138.1
[M+Na]+ 220.02595 144.9
[M-H]- 196.02945 139.9
[M+NH4]+ 215.07055 158.6
[M+K]+ 235.99989 144.7
[M+H-H2O]+ 180.03399 131.9
[M+HCOO]- 242.03493 161.7
[M+CH3COO]- 256.05058 193.1
[M+Na-2H]- 218.01140 143.8
[M]+ 197.03618 141.2
[M]- 197.03728 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.